SCHEMBL4035487

SCHEMBL4035487

O=C(c1ccc(C(F)(F)F)cc1)N1CCN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD11B1 P28845 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRNA7 P36544 3/20 0.49
DPP4 P27487 1/20 0.47
MGLL Q99685 1/20 0.47
HTR3A P46098 2/20 0.47
UGCG Q16739 1/20 0.47
TEAD1 P28347 1/20 0.45
ELOVL6 Q9H5J4 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4031149 0.84 CHRNA7 (0.54) MEN1KMT2AHSD11B1CHRNA7HTR3A
SCHEMBL4032137 0.82 HSD11B1 (0.54) HSD11B1CHRNA7MGLLHTR3A
SCHEMBL4028418 0.80 CHRNA7 (0.52) HPGDKMT2AHSD11B1CHRNA7MGLL
SCHEMBL4031884 0.80 CHRNA7 (0.52) CHRNA7MGLLHTR3A
SCHEMBL4028569 0.80 CHRNA7 (0.62) HPGDHSD11B1CHRNA7MGLLHTR3A
SCHEMBL4030570 0.80 CHRNA7 (0.60) CHRNA7HTR3A
SCHEMBL5914732 0.79 CHRNA7 (0.69) CHRNA7HTR3A
SCHEMBL4705060 0.78 CHRNA7 (0.48) GAACHRNA7HTR3A
SCHEMBL4700437 0.78 CHRNA7 (0.55) MEN1HPGDTSHRKMT2AHSD11B1
SCHEMBL373468 0.77 CHRNA7 (0.55) MEN1HPGDTSHRKMT2AHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP claimed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US claimed
EP-1539764-B1 ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS. ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2006-03-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052368-A1 Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists CHRNA7, CHRNB1, CHRNA1 MEN1 2886/4885HPGD 1700/4885TSHR 96/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.